3-[(3-methoxy-4-nitro-phenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazole

Systemtic Name: 3-[(3-methoxy-4-nitro-phenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazole Openeye Name: 3-[(3-methoxy-4-nitro-phenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazole CAS Name: 3-[(3-methoxy-4-nitrophenyl)methylthio]-5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(3-methoxy-4-nitrophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazole Traditional Name: 3-[(3-methoxy-4-nitro-benzyl)thio]-5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazole Formula: C23H20N4O4S MolecularWeight: 448.4943

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC(=C(C=C4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC(=C(C=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C23H20N4O4S/c1-30-19-11-9-17(10-12-19)22-24-25-23(26(22)18-6-4-3-5-7-18)32-15-16-8-13-20(27(28)29)21(14-16)31-2/h3-14H,15H2,1-2H3